5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide

C23H22FN9O2 — CID 121261466

About 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide

5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121261466) has the molecular formula C23H22FN9O2 and a molecular weight of 475.49 g/mol. Its IUPAC name is 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 121261466
• Molecular Formula: C23H22FN9O2
• Molecular Weight: 475.49 g/mol
• Exact Mass: 475.19
• IUPAC Name: 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: Cn1cc(-c2nc3nccc(-c4cnc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C23H22FN9O2/c1-23(2,3)22-32-31-21(35-22)20(34)27-10-16-15(24)7-12(8-26-16)14-5-6-25-19-17(14)29-18(30-19)13-9-28-33(4)11-13/h5-9,11H,10H2,1-4H3,(H,27,34)(H,25,29,30)
• InChIKey: YQNGBNNFBUNMDQ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 140.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.49
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 121261466) is 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide is Cn1cc(-c2nc3nccc(-c4cnc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is YQNGBNNFBUNMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN9O2/c1-23(2,3)22-32-31-21(35-22)20(34)27-10-16-15(24)7-12(8-26-16)14-5-6-25-19-17(14)29-18(30-19)13-9-28-33(4)11-13/h5-9,11H,10H2,1-4H3,(H,27,34)(H,25,29,30).

What are the key properties of 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide?

5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-pyridinyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121261466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).